Geometry & MOs

Info

ID:	432053
PubChem CID:	135172185
Reduced:	N2O2C21H34 (1)
Stoich.:	A2B2C21D34 (1)
Weight, g/mol:	491.235098
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	3.12
IP(EA), eV:	-8.16(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-[(5-chloropyridin-2-yl)amino]-2-fluoro-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)N

DOS

IR

Vibrations